Molecule

ID:102485

General Information
Structure
MolImage
Molecular Formula
C₄H₉ClN₂O₃
Molecular Mass
168.57886
Exact Mass
168.03016984
Charge
0
InChI
InChI=1S/C4H8N2O3.ClH/c5-1-3(7)6-2-4(8)9;/h1-2,5H2,(H,6,7)(H,8,9);1H
InChIKey
YHBAZQDEMYQPJL-UHFFFAOYSA-N
Canonic Smiles
NCC(=O)NCC(=O)O.Cl
Isomeric Smiles
Cl.NCC(=O)NCC(=O)O
Calculated Properties
JChem
Acid pKa
3.5200691
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-4.518133
LogD (pH = 7.4)
-4.5818744
Log P
-4.5175953
Molar Refractivity
28.806898
Polarizability
11.510928
Polar Surface Area
92.42
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation